5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo
TL;DR: 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo (CAS 116425-28-6) is a chemical compound with molecular formula C14H11Cl2FN2O and molecular weight 312.02325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-(2-chloro-4-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole
Also Known As: 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo, 1H-Pyrazole, 4-chloro-1-(2-chloro-4-fluoro-5-(2-propynyloxy)phenyl)-3,5-dimethyl-, 4-chloro-1-(2-chloro-4-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole, 1H-Pyrazole,4-chloro-1-[2-chloro-4-fluoro-5-(2-propyn-1-yloxy)phenyl]-3,5-dimethyl-, 4-chloro-1-[2-chloro-4-fluoro-5-(prop-2-yn-1-yloxy)phenyl]-3,5-dimethyl-1h-pyrazole
Technical Specifications
| Molecular Formula | C14H11Cl2FN2O |
| Molecular Weight | 312.02325 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 27.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.02325 Da |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
| SMILES | CC1=C(C(=NN1C2=CC(=C(C=C2Cl)F)OCC#C)C)Cl |
| InChIKey | DAEITKPIJAKLQY-UHFFFAOYSA-N |
Chemical Property Profile of 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo
Property Insights of 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo
The XLogP value of 4.1 indicates that 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo?
The CAS number of 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo is 116425-28-6.
What is the molecular formula of 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo?
The molecular formula of 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo is C14H11Cl2FN2O.
What is the molecular weight of 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo?
The molecular weight of 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo is 312.02325 g/mol.
Where can I buy 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo?
You can request a quote for 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo?
Yes, CoreyChem provides custom synthesis services for 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.